F0528-1276
TL;DR: F0528-1276 (CAS 477302-47-9) is a chemical compound with molecular formula C25H29F3N4O3S and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-1276, ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(4-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C25H29F3N4O3S |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 4.7739 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.1912 |
| Heavy Atoms | 36 |
| Complexity | 1097.2753 |
Chemical Identifiers
| CAS Number | 477302-47-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C(F)(F)F)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1276 (CAS 477302-47-9), with molecular formula C25H29F3N4O3S and molecular weight 522.19 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0528-1276
Property Insights of F0528-1276
The XLogP value of 4.7739 indicates that F0528-1276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1276. Following Lipinski's Rule of Five, F0528-1276 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1276?
The CAS number of F0528-1276 is 477302-47-9.
What is the molecular formula of F0528-1276?
The molecular formula of F0528-1276 is C25H29F3N4O3S.
What is the molecular weight of F0528-1276?
The molecular weight of F0528-1276 is 522.19 g/mol.
Where can I buy F0528-1276?
You can request a quote for F0528-1276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1276?
Yes, KEHONG BIO provides custom synthesis services for F0528-1276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.